SCHEMBL5376558

SCHEMBL5376558

NC1CCN(C2CCN(C3CCCC3)CC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.41
OPRL1 P41146 6/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
OPRK1 P41145 6/20 0.40
OPRD1 P41143 2/20 0.40
OGFRL1 Q5TC84 2/20 0.40
PARP2 Q9UGN5 1/20 0.39
HSD11B1 P28845 1/20 0.39
DPP4 P27487 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5381519 0.98 OPRM1 (0.44) OPRM1OPRL1CYP3A4TSHRTDP1
SCHEMBL4654654 0.91 OPRM1 (0.41) OPRM1OPRL1CYP3A4TSHRTDP1
SCHEMBL5376150 0.90 OPRM1 (0.43) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL4655669 0.88 OPRM1 (0.37) OPRM1OPRL1CYP3A4TSHRTDP1
SCHEMBL31291962 0.87 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL5390712 0.86 CYP3A4 (0.41) OPRM1OPRL1CYP3A4TSHRTDP1
SCHEMBL12527920 0.81 MAPT (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL17770870 0.81 MAPT (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL31228098 0.81 CYP3A4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL33525707 0.81 CYP3A4 (0.45) CYP3A4TSHRTDP1MAPTAPEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US claimed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US claimed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US claimed
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US disclosed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 OPRM1 4572/4885OPRL1 4373/4885CYP3A4 656/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 OPRM1 4572/4885OPRL1 4373/4885CYP3A4 656/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.